2-[(4-cyclooctyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-cyclooctyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-cyclooctyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-cyclooctyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cyclooctyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-cyclooctyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCCCC2)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C2CCCCCCC2)SCC(=O)O

InChI

InChI=1S/C13H21N3O2S/c1-10-14-15-13(19-9-12(17)18)16(10)11-7-5-3-2-4-6-8-11/h11H,2-9H2,1H3,(H,17,18)